4-methyl-2-(3-nitrophenyl)sulfonyl-1-oxidanyl-thieno[3,2-d][1,2,3]diazaborinine

Systemtic Name: 4-methyl-2-(3-nitrophenyl)sulfonyl-1-oxidanyl-thieno[3,2-d][1,2,3]diazaborinine Openeye Name: 1-hydroxy-4-methyl-2-(3-nitrophenyl)sulfonyl-thieno[3,2-d]diazaborinine CAS Name: 1-hydroxy-4-methyl-2-(3-nitrophenyl)sulfonylthieno[3,2-d]diazaborine IUPAC Name: 1-hydroxy-4-methyl-2-(3-nitrophenyl)sulfonylthieno[3,2-d]diazaborinine Traditional Name: 1-hydroxy-4-methyl-2-(3-nitrophenyl)sulfonyl-thieno[3,2-d]diazaborine Formula: C12H10BN3O5S2 MolecularWeight: 351.1659

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C(=NN1S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C)SC=C2)O

Isomeric SMILES

B1(C2=C(C(=NN1S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C)SC=C2)O

InChI

InChI=1S/C12H10BN3O5S2/c1-8-12-11(5-6-22-12)13(17)16(14-8)23(20,21)10-4-2-3-9(7-10)15(18)19/h2-7,17H,1H3